≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488198641 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488198641 |
| Canonical Smiles | COC(=O)C1=C(C=CC(=C1)C=O)O |
| IUPAC Name | methyl 5-formyl-2-hydroxybenzoate |
| InChIKey | XJKWVPNWHOCFBR-UHFFFAOYSA-N |
| INCHI | 1S/C9H8O4/c1-13-9(12)7-4-6(5-10)2-3-8(7)11/h2-5,11H,1H3 |
| Isomeric SMILES | COC(=O)C1=C(C=CC(=C1)C=O)O |
| Molecular Weight | 180.16 |
| Beilstein | 10(4)3623 |
| Reaxy-Rn | 2966635 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2966635&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Benzoic acid esters |
| Direct Parent | o-Hydroxybenzoic acid esters |
| Alternative Parents | Salicylic acid and derivatives Hydroxybenzaldehydes Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Methyl esters Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | O-hydroxybenzoic acid ester - Salicylic acid or derivatives - Hydroxybenzaldehyde - Benzaldehyde - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Aryl-aldehyde - Phenol - Vinylogous acid - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Hydrocarbon derivative - Aldehyde - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as o-hydroxybenzoic acid esters. These are benzoic acid esters where the benzene ring is ortho-substituted with a hydroxy group. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 E1818128 | Certificate of Analysis | Jan 26, 2026 | M118331 |
| E1818129 | Certificate of Analysis | Jan 26, 2026 | M118331 |
| K1320038 | Certificate of Analysis | Aug 15, 2025 | M118331 |
| L2412758 | Certificate of Analysis | Jun 24, 2024 | M118331 |
| L2426028 | Certificate of Analysis | Jun 24, 2024 | M118331 |
| L2426029 | Certificate of Analysis | Jun 24, 2024 | M118331 |
| C1610375 | Certificate of Analysis | Nov 01, 2023 | M118331 |
| D2319373 | Certificate of Analysis | Mar 08, 2022 | M118331 |
| Melt Point(°C) | 81°C |
|---|---|
| Molecular Weight | 180.160 g/mol |
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 180.042 Da |
| Monoisotopic Mass | 180.042 Da |
| Topological Polar Surface Area | 63.600 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 202.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Junli Xiao, Jianbo Jin, Shanyi Chen, Jianfeng Zhang, Peijian Cao, Li-Juan Mao, Ran Li. (2024) Methyl benzoate-related compounds as potential repellents and fumigants for the control of cigarette beetle, Lasioderma serricorne (F.). JOURNAL OF STORED PRODUCTS RESEARCH, [PMID:] [10.1016/j.jspr.2024.102276] |
| 2. Shen Yan, Fang Nan, Liu Xinru, Ling Yu, Su Yuming, Tan Tian, Chen Feng, Lin He, Zhao Boxuan, Wang Jin, Si Duanhui, Xie Shunji, Wang Ye, Zhou Da, Zhang Teng, Cao Rong, Wang Cheng. (2025) Observation of metal-organic interphase in Cu-based electrochemical CO2-to-ethanol conversion. Nature Communications, 16 (1): (1-18). [PMID:40021652] [10.1038/s41467-025-57221-x] |
